| CAS Number | 947505-01-3 |
| Catalog Number | AG00IIIA(AGN-PC-0WNO7L) |
| Chemical Name | 5-Tert-butyl-1,3-benzoxazol-2-amine |
| IUPAC Name | 5-tert-butyl-1,3-benzoxazol-2-amine |
| InChI | InChI=1S/C11H14N2O/c1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9/h4-6H,1-3H3,(H2,12,13) |
| InChI Key | DQUOOHJLHOWIHQ-UHFFFAOYSA-N |
| MDL Number | MFCD13813522 |
| Molecular Formula | C11H14N2O |
| Molecular Weight | 190.2417 |
| SMILES | CC(C1=CC2=C(OC(=N2)N)C=C1)(C)C |
| Synonyms | 5-tert-butyl-1,3-benzoxazol-2-amine,
947505-01-3,
2-Amino-5-(tert-butyl)benzoxazole,
5-(tert-Butyl)benzo[d]oxazol-2-amine,
2-Benzoxazolamine, 5-(1,1-dimethylethyl)-,
SCHEMBL179531,
KS-00001OPA,
ALBB-027373,
MFCD13813522,
ZINC20136400,
AKOS000299272,
MCULE-4139376339,
SY130056,
MFCD13813522 (95%),
Z1333043529,
T3504,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.111g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.246g/mol |
| Monoisotopic Mass | 190.111g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number